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Compound Detail

CHEMBL403638

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CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c(C(=O)O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403638
Phase Preclinical
Structure Type MOL
InChI Key ZGFQJNBMOZVGKO-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.07
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H24O6
MW 348.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.83

Literature References

PubMed DOI Target Context # Activities
18163582 10.1021/np0704349 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine